HRID103966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7969

Benzenethiol

C6H6S

HCID31275

1,4-Dioxane

C4H8O2

HCID112414

Ethanamine, 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]-

C15H33NO6

结构：FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1

HCID22036872

1-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole

C15H13ClF2N6O

PRODUCTS

生成物

结构：FC(F)c1nc2ccccc2n1-c1nc(Sc2ccccc2)nc(N2CCOCC2)n1

HCID58102807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67aa50117419403da35e38bb6a458f3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][N:42]([CH2:43][CH2:44][O:45][CH2:46][CH2:47][O:48][CH3:49])[CH2:50][CH2:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:10][c:11]1[n:12][c:13](-[n:23]2[c:24]([CH:32]([F:33])[F:34])[n:25][c:26]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[n:14][c:15]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:16]1.[Na+:9].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH-:8].[OH2:57].[SH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:11]1[n:12][c:13](-[n:23]2[c:24]([CH:32]([F:33])[F:34])[n:25][c:26]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[n:14][c:15]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:16]1