HRID2334969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：CSc1sc(-c2cc(Nc3cccc(OCCCOS(C)(=O)=O)c3)ccc2C)c(-c2cccnc2)c1C#N

HCID86588175

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(-c2cc(Nc3cccc(OCCCN(C)C)c3)ccc2C)c(-c2cccnc2)c1C#N

HCID22019033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ee7f75b7d3e4af7adaf942952141bdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4](-[c:33]2[cH:34][n:35][cH:36][cH:37][cH:38]2)[c:5](-[c:10]2[cH:11][c:12]([NH:17][c:18]3[cH:19][c:20]([O:21][CH2:22][CH2:23][CH2:24][O:25][S:26]([CH3:27])(=[O:28])=[O:29])[cH:30][cH:31][cH:32]3)[cH:13][cH:14][c:15]2[CH3:16])[s:6][c:7]1[S:8][CH3:9].[CH3:39][NH:40][CH3:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:50][CH2:51][Cl:52].[OH2:49]>>[C:1](#[N:2])[c:3]1[c:4](-[c:33]2[cH:34][n:35][cH:36][cH:37][cH:38]2)[c:5](-[c:10]2[cH:11][c:12]([NH:17][c:18]3[cH:19][c:20]([O:21][CH2:22][CH2:23][CH2:24][N:40]([CH3:39])[CH3:41])[cH:30][cH:31][cH:32]3)[cH:13][cH:14][c:15]2[CH3:16])[s:6][c:7]1[S:8][CH3:9]