HRID197588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2397998

5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

C7H11N3S

结构：COc1ccc(C(=O)NCc2cccc(C(=O)O)c2)cc1OC

HCID44819543

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1OC

HCID25056372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fae94753a2ff4c5198da79bca9cf27db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:24]([Cl:25])[CH2:26][Cl:27].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][c:10]2[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18]2)[cH:19][cH:20][c:21]1[O:22][CH3:23].[CH3:47][N:48]1[CH2:49][c:50]2[c:51]([n:54][c:55]([NH2:57])[s:56]2)[CH2:52][CH2:53]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:28][c:29]1[c:30]2[n:31][n:32][nH:33][c:34]2[cH:35][cH:36][cH:37]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][c:10]2[cH:11][c:12]([C:13](=[O:15])[NH:57][c:55]3[n:54][c:51]4[c:50]([s:56]3)[CH2:49][N:48]([CH3:47])[CH2:53][CH2:52]4)[cH:16][cH:17][cH:18]2)[cH:19][cH:20][c:21]1[O:22][CH3:23]