HRID297130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID84151

[1,1'-Biphenyl]-4-carbonyl chloride

C13H9ClO

HCID3839223

Hydroxy(phenyl)acetate

C8H7O3-

HCID14896402

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1c2cc([N+](=O)[O-])ccc2CC1O)c1ccc(-c2ccccc2)cc1

HCID69224856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65736786090a4e24bad67d2a4f44c0fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[NH2:1][CH:2]1[CH:3]([OH:14])[CH2:4][c:5]2[cH:6][cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][c:10]21.[Na+:27].[OH-:26].[OH:15][CH:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[C:23](=[O:24])[O-:25].[c:28]1(-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:29][cH:30][c:31]([C:34](=[O:35])[Cl:36])[cH:32][cH:33]1>>[NH:1]([CH:2]1[CH:3]([OH:14])[CH2:4][c:5]2[cH:6][cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][c:10]21)[C:34]([c:31]1[cH:30][cH:29][c:28](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:33][cH:32]1)=[O:35]