HRID175250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID6367

Acetyl chloride

C2H3ClO

HCID222461

1-(3-Aminophenyl)ethanol

C8H11NO

结构：Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Cl)ncnc54)c3)cc(C(F)(F)F)c2)cn1

HCID59673978

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Nc6cccc(C(C)O)c6)ncnc54)c3)cc(C(F)(F)F)c2)cn1

HCID11388192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c811752b60c4bbe867bd78be7eef7e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:54]([OH:55])[CH2:56][CH2:57][CH3:58].[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[Cl:39])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1.[CH3:40][C:41](=[O:42])[Cl:43].[OH:44][CH:45]([CH3:46])[c:47]1[cH:48][c:49]([NH2:50])[cH:51][cH:52][cH:53]1>>[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[NH:50][c:49]2[cH:48][c:47]([CH:45]([OH:44])[CH3:46])[cH:53][cH:52][cH:51]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1