HRID147531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

反应SMILES：O=C(Nc1cccnc1OCCOC1CCCCO1)c1c[nH]c2c1-c1ncccc1CCC2

HCID86588316

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1cccnc1OCCO)c1c[nH]c2c1-c1ncccc1CCC2

HCID20605590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-360977d5fcef4106bd2f2964f262699a
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

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