HRID1570118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID604537

Benzene, 1,3-dichloro-2-isocyanato-

C7H3Cl2NO

结构：CC(C)(C)c1cc(N)n(-c2nc(C(F)(F)F)nc(-c3ccccc3)c2-c2ccccc2)n1

HCID24962681

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)Nc2c(Cl)cccc2Cl)n(-c2nc(C(F)(F)F)nc(-c3ccccc3)c2-c2ccccc2)n1

HCID24957544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67613b5f30ed481ab11e16a2cbe05608
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

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