HRID1123135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6278

1,1,1-Trichloroethane

C2H3Cl3

HCID8857

Ethyl acetate

C4H8O2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

结构：CCNC(=O)C1OC(OC(C)=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

HCID23377385

未命名化合物

结构：COC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1

HCID178418823

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)OC)nc32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

HCID178464993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c0440a221264734a0cf210941908f58
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:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)(=[O:36])[O:37][CH:38]1[CH:39]([C:56](=[O:57])[NH:58][CH2:59][CH3:60])[O:40][CH:41]([O:52][C:53](=[O:54])[CH3:55])[CH:42]1[O:43][C:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51].[CH3:73][C:74]([Cl:75])([Cl:76])[Cl:77].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[F:61][C:62]([F:63])([F:64])[S:65]([O:66][Si:67]([CH3:68])([CH3:69])[CH3:70])(=[O:71])=[O:72].[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][nH:14][c:15]3[n:16][c:17]([C:19](=[O:20])[O:21][CH3:22])[n:18]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:41]4[O:40][CH:39]([C:56](=[O:57])[NH:58][CH2:59][CH3:60])[CH:38]([O:37][C:29]([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)=[O:36])[CH:42]4[O:43][C:44]([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)=[O:51])[c:15]3[n:16][c:17]([C:19](=[O:20])[O:21][CH3:22])[n:18]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1