HRID687386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID7521

2-Vinylpyridine

C7H7N

结构：O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID11014758

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2c(c1)CCN(CCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID23296203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e82d13d398d345ee86f443ce475bfb96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]1[NH:2][CH2:3][CH2:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[c:14]3[c:15](-[c:20]4[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]4)[cH:16][cH:17][cH:18][cH:19]3)[cH:8][cH:9][c:10]21.[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][OH:43].[CH:30](=[CH2:31])[c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]1[N:2]([CH2:31][CH2:30][c:32]2[n:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:3][CH2:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[c:14]3[c:15](-[c:20]4[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]4)[cH:16][cH:17][cH:18][cH:19]3)[cH:8][cH:9][c:10]21