HRID689757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID667549

Thiourea, (4-methoxyphenyl)- (9CI)

C8H10N2OS

HCID2723790

Thiourea

CH4N2S

结构：COc1ccc(-c2cnc(Nc3ccc(OCCN4CCCC4)cc3)s2)cc1

HCID11188635

未命名化合物

PRODUCTS

生成物

HCID11266955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-412d465c8dee4d2398ccb20ab72c3e89
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

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