HRID1560179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID21867560

Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-, phenylmethyl ester

C14H18N2O2

HCID21867670

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(COc1ccc(C#N)cc1)CN1CC2CN(C(=O)OCc3ccccc3)CC2C1

HCID178453730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf0087a08314feca7025b3c81e5f52c
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:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]2[N:10]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:11]2)[cH:19][cH:20]1.[CH2:21]1[N:22]([C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:23][CH:24]2[CH:25]1[CH2:26][NH:27][CH2:28]2.[CH:39]([OH:40])([CH3:41])[CH3:42]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]([NH:10][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:11][N:27]2[CH2:26][CH:25]3[CH2:21][N:22]([C:29](=[O:30])[O:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[CH2:23][CH:24]3[CH2:28]2)[cH:19][cH:20]1