HRID189476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)c1c(C(C)(C)O)nc(SC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178468947

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178503446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b267582e86d341b881420c47d6e55578
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

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