HRID295359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID98210

3-Pyrrolidinol

C4H9NO

结构：COc1cc2c(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCCl

HCID66876047

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCN1CCC(O)C1

HCID66876692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5628fee5042c409ab8180b81ae634682
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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