HRID1207507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3ccccn3)ccc2n1Cc1ccc(Cl)cc1

HCID19098332

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12

HCID9828630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9d40a58743b4d8391f3eda9add227c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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