HRID2309917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(N)c2ccc(-c3ccc(F)cn3)cc2)n1

HCID68668213

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(NS(C)(=O)=O)c2ccc(-c3ccc(F)cn3)cc2)n1

HCID68667916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52878102e4f541e0bee2e518077e2ac5
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

[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:6][C:7]([CH2:8][c:9]1[n:10][c:11]([CH2:33][CH:34]([NH2:35])[c:36]2[cH:37][cH:38][c:39](-[c:42]3[n:43][cH:44][c:45]([F:48])[cH:46][cH:47]3)[cH:40][cH:41]2)[n:12]([C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:13]1)([CH2:49][CH3:50])[CH3:51].[Cl:59][CH2:60][Cl:61]>>[CH3:1][S:2](=[O:4])(=[O:5])[NH:35][CH:34]([CH2:33][c:11]1[n:10][c:9]([CH2:8][C:7]([CH3:6])([CH2:49][CH3:50])[CH3:51])[cH:13][n:12]1[C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:36]1[cH:37][cH:38][c:39](-[c:42]2[n:43][cH:44][c:45]([F:48])[cH:46][cH:47]2)[cH:40][cH:41]1