HRID1124196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8110

Butyl isocyanate

C5H9NO

结构：CCN(CC)c1ccc(N)c(C(=O)NCC2CCN(C(c3ccccc3)c3ccccc3)CC2)c1

HCID67595875

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)Nc1ccc(N(CC)CC)cc1C(=O)NCC1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID9937944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ee460efcb44d4da43cfc52c8b6c2f8
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

[CH2:36]([CH2:37][CH2:38][CH3:39])[N:40]=[C:41]=[O:42].[Cl:43][CH:44]([Cl:45])[Cl:46].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH:8]2[CH2:9][CH2:10][N:11]([CH:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:12][CH2:13]2)[cH:27][c:28]([N:31]([CH2:32][CH3:33])[CH2:34][CH3:35])[cH:29][cH:30]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH:8]2[CH2:9][CH2:10][N:11]([CH:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:12][CH2:13]2)[cH:27][c:28]([N:31]([CH2:32][CH3:33])[CH2:34][CH3:35])[cH:29][cH:30]1)[C:41]([NH:40][CH2:36][CH2:37][CH2:38][CH3:39])=[O:42]