HRID290293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID996

Phenol

C6H6O

反应SMILES：CC1C(=O)N(Cc2ccc3c(Cl)ccnc3c2)CCN1C(=O)C=Cc1cc(Br)cs1

HCID57209990

未命名化合物

PRODUCTS

产物

反应SMILES：CC1C(=O)N(Cc2ccc3c(N)ccnc3c2)CCN1C(=O)C=Cc1cc(Br)cs1

HCID57086474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-95bc8ad17aa2493c8a97459ca697192d
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

[CH3:39][C:40](=[O:41])[O-:42].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:30])[CH:15]([CH3:29])[N:16]([C:19]([CH:20]=[CH:21][c:22]4[s:23][cH:24][c:25]([Br:27])[cH:26]4)=[O:28])[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12.[NH4+:38].[OH:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1([NH2:38])[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:30])[CH:15]([CH3:29])[N:16]([C:19]([CH:20]=[CH:21][c:22]4[s:23][cH:24][c:25]([Br:27])[cH:26]4)=[O:28])[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12