HRID672590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID25135

Boron trichloride

BCl3

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CC(COCc2ccccc2)C1

HCID22346834

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CC(CO)C1

HCID22347387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2566d1847aec4302911f3fca24638799
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B:37]([Cl:38])([Cl:39])[Cl:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[CH2:11][CH:12]([n:14]2[n:15][c:16](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:28][cH:29]3)[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH2:23])[CH2:13]1.[CH3:45][OH:46].[Cl:42][CH2:43][Cl:44].[NH3:41]>>[OH:8][CH2:9][CH:10]1[CH2:11][CH:12]([n:14]2[n:15][c:16](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:28][cH:29]3)[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH2:23])[CH2:13]1