HRID813169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76639

Benzyl isocyanate

C8H7NO

结构：CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NC3CCNCC3)c2)c1Br

HCID17758010

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NC3CCN(C(=O)NCc4ccccc4)CC3)c2)c1Br

HCID17758125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98a67b0ab7584582ad9e664204846a9d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[N:43]=[C:44]=[O:45].[CH3:6][O:7][C:8](=[O:9])[c:10]1[s:11][c:12](-[c:23]2[cH:24][c:25]([NH:29][CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:26][cH:27][cH:28]2)[c:13]([Br:22])[c:14]1[O:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21].[ClH:46].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:47]>>[CH3:6][O:7][C:8](=[O:9])[c:10]1[s:11][c:12](-[c:23]2[cH:24][c:25]([NH:29][CH:30]3[CH2:31][CH2:32][N:33]([C:44]([NH:43][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)=[O:45])[CH2:34][CH2:35]3)[cH:26][cH:27][cH:28]2)[c:13]([Br:22])[c:14]1[O:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21]