HRID678046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)c1sc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)C(OC)C2)nc1-c1cnc(N2CCN(C)CC2)cn1

HCID72274478

未命名化合物

PRODUCTS

生成物

结构：COC1CN(c2nc(-c3cnc(N4CCN(C)CC4)cn3)c(C(=O)O)s2)CCC1NC(=O)c1[nH]c(C)c(Cl)c1Cl

HCID75181192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2ffbde14a8f447fa00a355077cb0337
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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