HRID152578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8071

未命名化合物

PRODUCTS

生成物

结构：Cc1sc(-c2ccccc2)nc1COc1cc(COc2ncccc2CC#N)on1

HCID68887422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32e780ecfc44438599f451c324d42fbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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