HRID1540231

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

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID101386

Benzoic acid, 3-benzoyl-

C14H10O3

HCID19600083

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C)Cc1cc2c(o1)CN(C(=O)c1cccc(C(=O)c3ccccc3)c1)CC2

HCID19600018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d163f59941d4cceb1f4c2120fc4ccb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)(=[O:23])[c:24]1[cH:25][c:26]([C:27](=[O:28])[OH: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:27]([c:26]1[cH:25][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]1)=[O:28])[CH2:13][CH2:14]2.[ClH:1]