HRID2153226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID12071469

未命名化合物

HCID15888083

未命名化合物

PRODUCTS

生成物

结构：CCNc1nc(CCOc2ccc3c(c2)Cc2ccccc2C(CC(=O)OCC)C3)cs1

HCID12071470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26cf27d3fae544af8324b62b12212ad6
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

[CH2:1]([CH3:2])[NH:3][c:4]1[s:5][cH:6][c:7]([CH2:9][CH2:10][OH:11])[n:8]1.[O:12]=[C:13]([O:14][CH2:15][CH3:16])[N:17]=[N:18][C:19]([O:20][CH2:21][CH3:22])=[O:23].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:24][c:25]1[cH:26][cH:27][c:28]2[c:29]([cH:45]1)[CH2:30][c:31]1[c:32]([cH:41][cH:42][cH:43][cH:44]1)[CH:33]([CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:34]2.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH2:1]([CH3:2])[NH:3][c:4]1[s:5][cH:6][c:7]([CH2:9][CH2:10][O:11][c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:45]2)[CH2:30][c:31]2[c:32]([cH:41][cH:42][cH:43][cH:44]2)[CH:33]([CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:34]3)[n:8]1