HRID1132016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CC(C)(C)OC(=O)N1C(=O)OC(c2csc(-c3ccccc3)n2)C1Cc1cccc(OC(F)(F)C(F)F)c1

HCID86593307

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1csc(-c2ccccc2)n1

HCID86593308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea0c655a0f774769b81bedcb742490fc
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

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