HRID2130348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID24813

Phosphoric trichloride

Cl3OP

结构：COc1ccc(Cn2cnc3c(-c4cccnc4Oc4c(C)ccc5c(=O)[nH]ccc45)ncnc32)cc1

HCID68723652

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cnc3c(-c4cccnc4Oc4c(C)ccc5c(Cl)nccc45)ncnc32)cc1

HCID86649313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1786a22bcf4437292b074d60c981476
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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