HRID2343663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(=O)NC(C(=O)C1N=C(C(C)(C)C)SN1C(=O)O)C(C)C

HCID18623760

未命名化合物

HCID22321532

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(C(=O)C1N=C(C(C)(C)C)SN1C(=O)NC1CC(=O)OC1OCc1ccccc1)C(C)C

HCID86590559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-115e317577a64ab2b142f05c4d45db07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:22]([CH3:23])(=[O:24])[NH:25][CH:26]([C:27](=[O:28])[CH:29]1[N:30]([C:38]([OH:39])=[O:40])[S:31][C:32]([C:34]([CH3:35])([CH3:36])[CH3:37])=[N:33]1)[CH:41]([CH3:42])[CH3:43].[CH2:1]([O:2][C:5]([NH:6][CH:7]1[CH:8]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:9][C:10](=[O:12])[CH2:11]1)=[O:21])[CH:3]=[CH2:4].[CH2:54]([Cl:55])[CH2:56][Cl:57].[Cl:63][CH2:64][Cl:65].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[C:5]([NH:6][CH:7]1[CH:8]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:9][C:10](=[O:12])[CH2:11]1)(=[O:21])[N:30]1[CH:29]([C:27]([CH:26]([NH:25][C:22]([CH3:23])=[O:24])[CH:41]([CH3:42])[CH3:43])=[O:28])[N:33]=[C:32]([C:34]([CH3:35])([CH3:36])[CH3:37])[S:31]1