HRID161210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID73561

1,2-Propanediol, 3-amino-

C3H9NO2

结构：CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CBr)cc3)s2)o1

HCID11113601

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNCC(O)CO)cc3)s2)o1

HCID9891769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f61c3fd1f5da4fcfaf1261254f86787e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[s:14][c:15]([S:18][CH2:19][c:20]3[o:21][c:22]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:23][n:24]3)[cH:16][n:17]2)[cH:7][cH:8]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[NH2:29][CH2:30][CH:31]([CH2:32][OH:33])[OH:34].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[s:14][c:15]([S:18][CH2:19][c:20]3[o:21][c:22]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:23][n:24]3)[cH:16][n:17]2)[cH:7][cH:8]1)[NH:29][CH2:30][CH:31]([CH2:32][OH:33])[OH:34]