HRID1544990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID13648483

Phenyl cyclopropylcarbamate

C10H11NO2

结构：CCN(CC)CCCOc1ccc(-c2cc3c(Oc4ccc(N)c(Cl)c4)ncnc3n2COCC[Si](C)(C)C)cc1

HCID58930946

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCOc1ccc(-c2cc3c(Oc4ccc(NC(=O)NC5CC5)c(Cl)c4)ncnc3n2COCC[Si](C)(C)C)cc1

HCID58931036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60132a825f274798bac9d2919e4d8130
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:56][S:57]([CH3:58])=[O:59].[CH:42]1([NH:45][C:46]([O:47][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)=[O:48])[CH2:43][CH2:44]1.[Cl:1][c:2]1[c:3]([NH2:41])[cH:4][cH:5][c:6]([O:8][c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[n:15]([CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[cH:22][cH:23]2)[cH:17]3)[cH:7]1.[OH2:55]>>[Cl:1][c:2]1[c:3]([NH:41][C:46]([NH:45][CH:42]2[CH2:43][CH2:44]2)=[O:47])[cH:4][cH:5][c:6]([O:8][c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[n:15]([CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[cH:22][cH:23]2)[cH:17]3)[cH:7]1