HRID1150075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66719186

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2cc3c(cc2CC1C(=O)O)OCC(c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)O3

HCID178451462

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Oc2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)CO3

HCID178499940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fc46e79db034bcaaafa1f59f9163a28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20])[O:21][CH2:22][CH:23]([c:25]1[cH:26][c:27]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:28][cH:29][cH:30]1)[O:24]3.[CH3:53][O:54][C:55]([CH:56]([CH2:57][c:58]1[cH:59][cH:60][c:61]([O:64][c:65]2[c:66]([CH3:72])[c:67]([CH3:71])[n:68][cH:69][cH:70]2)[cH:62][cH:63]1)[NH2:73])=[O:74].[CH3:87][CH2:88][N:89]=[C:90]=[N:91][CH2:92][CH2:93][CH2:94][N:95]([CH3:96])[CH3:97].[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[Cl:84][CH2:85][Cl:86].[ClH:51].[ClH:52].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[NH:73][CH:56]([C:55]([O:54][CH3:53])=[O:74])[CH2:57][c:58]1[cH:59][cH:60][c:61]([O:64][c:65]2[c:66]([CH3:72])[c:67]([CH3:71])[n:68][cH:69][cH:70]2)[cH:62][cH:63]1)[O:21][CH2:22][CH:23]([c:25]1[cH:26][c:27]([O:31][CH2:32][c:33]2[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]2)[cH:28][cH:29][cH:30]1)[O:24]3