HRID1561823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C1(Cc2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCNC1=O

HCID58456303

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CC3(C(=O)O)CCNC3=O)s2)c1

HCID58456122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6f3d64f0a804138bcf5ca9c02c65a24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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