HRID1565350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID3826051

未命名化合物

HCID59452590

未命名化合物

HCID59452964

未命名化合物

PRODUCTS

产物

HCID59452581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-508ddd09c89a47c78bbbf15f1c0d92bf
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

[CH3:36][O:37][c:38]1[c:39]([NH2:40])[cH:41][cH:42][c:43]([CH2:45][CH2:46][CH2:47][N:48]2[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]2)[cH:44]1.[CH3:66][O-:67].[CH:72]([OH:73])([CH3:74])[CH3:75].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:69][CH2:70][Cl:71].[Na+:68].[c:55]1([CH3:56])[cH:57][cH:58][c:59]([S:60]([OH:61])(=[O:62])=[O:63])[cH:64][cH:65]1>>[c:2]1([NH:40][c:39]2[c:38]([O:37][CH3:36])[cH:44][c:43]([CH2:45][CH2:46][CH2:47][N:48]3[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]3)[cH:42][cH:41]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1