HRID1227388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID10422

Azetidine

C3H7N

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(Nc2cc(Cl)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)[nH]n1

HCID178428225

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)[nH]n1

HCID178428241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46ce11509c29459db6e0c1ab43ebc7aa
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

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