HRID98046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID13245

4-Methoxycinnamic acid

C10H10O3

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID68693919

未命名化合物

PRODUCTS

产物

HCID68692713

1-(chloromethyl)-N-(2-hydroxyethyl)-3-[3-(4-methoxyphenyl)prop-2-enoyl]-5-nitro-1,2-dihydrobenzo[e]indole-7-sulfonamide

C25H24ClN3O7S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-baa7b204f2e44e6c8a861e749cdd7385
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH:32]=[CH:33][C:34](=[O:35])[OH:36])[cH:37][cH:38]1.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:50][c:51]1[cH:52][cH:53][c:54]([S:55]([OH:56])(=[O:57])=[O:58])[cH:59][cH:60]1.[CH3:61][OH:62].[Cl:1][CH2:2][CH:3]1[CH2:4][NH:5][c:6]2[cH:7][c:8]([N+:23](=[O:24])[O-:25])[c:9]3[c:10]([c:11]21)[cH:12][cH:13][c:14]([S:16](=[O:17])(=[O:18])[NH:19][CH2:20][CH2:21][OH:22])[cH:15]3.[ClH:63].[OH2:64]>>[Cl:1][CH2:2][CH:3]1[CH2:4][N:5]([C:34]([CH:33]=[CH:32][c:31]2[cH:30][cH:29][c:28]([O:27][CH3:26])[cH:38][cH:37]2)=[O:35])[c:6]2[cH:7][c:8]([N+:23](=[O:24])[O-:25])[c:9]3[c:10]([c:11]21)[cH:12][cH:13][c:14]([S:16](=[O:17])(=[O:18])[NH:19][CH2:20][CH2:21][OH:22])[cH:15]3