HRID2127622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

结构：O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)c3c2)o1

HCID21952269

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)c3c2)o1

HCID9808725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-344e912f403b4dc28d5680bfdc0d9129
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:37][S:38](=[O:39])(=[O:40])[CH2:41][CH2:42][NH2:43].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([NH:12][c:13]3[n:14][cH:15][n:16][c:17]4[cH:18][cH:19][c:20](-[c:23]5[cH:24][cH:25][c:26]([CH:28]=[O:29])[o:27]5)[cH:21][c:22]34)[cH:30][cH:31]2)[cH:32][cH:33][cH:34]1)([F:35])[F:36].[OH2:44]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([NH:12][c:13]3[n:14][cH:15][n:16][c:17]4[cH:18][cH:19][c:20](-[c:23]5[cH:24][cH:25][c:26]([CH2:28][NH:43][CH2:42][CH2:41][S:38]([CH3:37])(=[O:39])=[O:40])[o:27]5)[cH:21][c:22]34)[cH:30][cH:31]2)[cH:32][cH:33][cH:34]1)([F:35])[F:36]