HRID2142739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6813

Benzoic acid, 2-benzoyl-

C14H10O3

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID19600083

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C)Cc1cc2c(o1)CN(C(=O)c1ccccc1C(=O)c1ccccc1)CC2

HCID19599893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e7e25e8f2364e29a2cd051fa0054b63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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