HRID94874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID962

Water

H2O

7 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7964

Chlorobenzene

C6H5Cl

HCID8713

2-Aminobenzenethiol

C6H7NS

HCID14855976

未命名化合物

HCID53842645

未命名化合物

PRODUCTS

生成物

HCID3260419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ff8c6c6f21a410fafdd6c943e98afd1
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]2[O:8][CH:9]2[C:10]([NH2:11])=[O:12])[cH:13][cH:14]1.[CH3:64][OH:65].[Cl-:29].[Cl:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[NH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[SH:22].[NH2:30][c:31]1[c:32]([S:37][CH:38]([CH:39]([C:40](=[O:41])[NH2:42])[OH:43])[c:44]2[cH:45][cH:46][c:47]([O:50][CH3:51])[cH:48][cH:49]2)[cH:33][cH:34][cH:35][cH:36]1.[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:52].[c:53]1([CH3:54])[cH:55][cH:56][c:57]([S:58]([OH:59])(=[O:60])=[O:61])[cH:62][cH:63]1>>[c:31]12[c:32]([cH:33][cH:34][cH:35][cH:36]1)[S:37][CH:38]([c:44]1[cH:45][cH:46][c:47]([O:50][CH3:51])[cH:48][cH:49]1)[CH:39]([OH:43])[C:40](=[O:41])[NH:42]2