HRID92184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6568

2-Butanol

C4H10O

HCID272109

1-chloro-4-phenylphthalazine

C14H9ClN2

HCID66731913

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID66731380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-77dee132e9f242579b7718b4752ee754
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[n:11][cH:12][cH:13][cH:14]2)[n:8]1.[CH3:40][CH2:41][CH:42]([OH:43])[CH3:44].[Cl:23][c:24]1[n:25][n:26][c:27](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][c:24]4[n:25][n:26][c:27](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]45)[cH:20][cH:21]3)[n:11][cH:12][cH:13][cH:14]2)[n:8]1.[ClH:23]