HRID146436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID7167

Benzoic anhydride

C14H10O3

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID21527625

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NCC(COc1cccc2c1CC(=O)N2)OC(=O)c1ccccc1

HCID21527600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-986f090c0def4bc3a5e7e649689d7534
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][CH2:6][CH:7]([CH2:8][O:9][c:10]1[c:11]2[c:15]([cH:16][cH:17][cH:18]1)[NH:14][C:13](=[O:19])[CH2:12]2)[OH:20].[C:30]([O:31][C:32](=[O:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)(=[O:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:48][N:49]([CH3:50])[P:51](=[O:52])([N:53]([CH3:54])[CH3:55])[N:56]([CH3:57])[CH3:58].[NH3:47].[OH2:59].[OH:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][CH2:6][CH:7]([CH2:8][O:9][c:10]1[c:11]2[c:15]([cH:16][cH:17][cH:18]1)[NH:14][C:13](=[O:19])[CH2:12]2)[O:20][C:22](=[O:21])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1