HRID1143712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID1201387

Thiazoline-2-thione

C3H3NS2

结构：Cn1cncc1C(O)(c1ccc(CCl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID21082106

未命名化合物

PRODUCTS

生成物

结构：Cn1cncc1C(O)(c1ccc(CSc2nccs2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID10303804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d434708e95c345dc8963fa359eccb42a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1.[OH2:42].[s:36]1[c:37](=[S:41])[nH:38][cH:39][cH:40]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1)[S:41][c:37]1[s:36][cH:40][cH:39][n:38]1