HRID1235873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID7738

(4-Methoxyphenyl)methanol

C8H10O2

HCID4574913

未命名化合物

结构：O=C(c1ccc(Oc2nccnc2-c2cccnc2F)cc1)c1nc2ccccc2[nH]1

HCID59351416

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2ncccc2-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1

HCID59351184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f9c1487a27d43f1b67a6fb3b7659e5f
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

[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([CH2:38][OH:39])[cH:40][cH:41]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:48][C:49]([OH:50])([CH3:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:60][CH2:61][Cl:62].[K+:47].[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][n:23][c:24]3-[c:25]3[c:26]([F:31])[n:27][cH:28][cH:29][cH:30]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][n:23][c:24]3-[c:25]3[c:26]([O:39][CH2:38][c:37]4[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:41][cH:40]4)[n:27][cH:28][cH:29][cH:30]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2