HRID87010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

结构：COc1ccc(CNCc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)c(OC)c1

HCID67147711

(2,4-dimethoxybenzyl) [2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine

C35H36N4O6S

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1

HCID67147742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5aa262d729248dc8ce02f9c781b3b70
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][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[n:14]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[c:15](-[c:17]2[cH:18][n:19]([CH3:30])[c:20]4[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][c:25]24)[cH:16]3)[cH:41][cH:42][c:43]([O:45][CH3:46])[cH:44]1.[c:47]1([S:53](=[O:54])(=[O:55])[Cl:56])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[n:14]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[c:15](-[c:17]2[cH:18][n:19]([CH3:30])[c:20]4[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][c:25]24)[cH:16]3)[S:53]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)(=[O:54])=[O:55])[cH:41][cH:42][c:43]([O:45][CH3:46])[cH:44]1