HRID113103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2733313

o-Toluenesulfonyl isocyanate

C8H7NO3S

结构：CC1CN(C(=O)COc2ccc(Cl)cc2CO)C(C)CN1Cc1ccc(F)cc1

HCID21973406

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1S(=O)(=O)NC(=O)OCc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID178424417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-375969a88e4c4cfa9b416af9ca5de3d8
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

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