HRID1211420

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

HCID118171

未命名化合物

HCID166653

Hydride

H-

结构：O=C(O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID73078134

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(=NOC1CCCNC1=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53911330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90f29a7803b94019a2c68c7de7130f53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:34][CH:35]1[C:36](=[O:41])[NH:37][CH2:38][CH2:39][CH2:40]1.[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[OH:29])=[N:30][OH:31])[n:25]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[H-:32].[Na+:33].[OH2:42]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[OH:29])=[N:30][O:31][CH:35]2[C:36](=[O:41])[NH:37][CH2:38][CH2:39][CH2:40]2)[n:25]1