HRID118842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID276

Carbamic acid, ion(1-)

CH2NO2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID7540

Triphenyl phosphite

C18H15O3P

HCID12136

Benzyl carbamate

C8H9NO2

HCID12591670

4-(2-Oxoethyl)benzonitrile

C9H7NO

PRODUCTS

生成物

结构：N#Cc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

HCID21849067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-849a65735c5348edbf24425d260d129a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:12]([NH2:13])([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]=[O:11])[cH:7][cH:8]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][S:57]([CH3:58])=[O:59].[CH3:60][C:61](=[O:62])[OH:63].[NH2:45][C:46](=[O:47])[O-:48].[c:23]1([O:29][P:30]([O:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[O:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([NH:13][C:12]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:22])[P:30]([O:29][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([O:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[cH:7][cH:8]1