HRID1228515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7856

Chloroacetonitrile

C2H2ClN

反应SMILES：O=C(OC(c1ccccc1)c1ccccc1)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID88662905

未命名化合物

PRODUCTS

产物

反应SMILES：N#CCON=C(C(=O)OC(c1ccccc1)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53987411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3a5b823f0b304c5abbdd13b2ec149bd4
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

[Cl:45][CH2:46][C:47]#[N:48].[OH:1][N:2]=[C:3]([C:4](=[O:5])[O:6][CH:7]([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)[c:20]1[n:21][c:22]([NH:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[s:23][cH:24]1>>[O:1]([N:2]=[C:3]([C:4](=[O:5])[O:6][CH:7]([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)[c:20]1[n:21][c:22]([NH:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[s:23][cH:24]1)[CH2:46][C:47]#[N:48]