HRID1543807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1nc(-c2ccc3c(c2)N(C(=O)Nc2nc4ccccc4s2)CCC3)ccc1OCCOc1ccccc1

HCID59418694

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1nc(-c2ccc3c(c2)N(C(=O)Nc2nc4ccccc4s2)CCC3)ccc1OCCOc1ccccc1

HCID46841057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-082d04995c3a4b8ca82a273cfb4c65ad
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

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