HRID2340704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID62412

tert-Butyl isocyanate

C5H9NO

HCID166653

Hydride

H-

结构：CSc1ncc2cc(-c3c(Cl)ccc(NC(=O)c4cccc(C(F)(F)F)c4)c3Cl)c(N)nc2n1

HCID59833927

未命名化合物

PRODUCTS

生成物

结构：CSc1ncc2cc(-c3c(Cl)ccc(NC(=O)c4cccc(C(F)(F)F)c4)c3Cl)c(NC(=O)NC(C)(C)C)nc2n1

HCID59860301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1146d09a9044c53bd4198ebe6d540a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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