HRID172569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

结构：Clc1ncnc2c1ccn2C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID13076211

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1ccn2C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178508624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddb0991f0d7f48ac8a1d7ac5f686aeca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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