HRID316992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

结构：NCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID22574488

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)Nc1ccccc1

HCID12997439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5265f649080420a95435f4470f9c19a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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