HRID1554518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9321

Hydrazine

H4N2

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：O=C(Nc1ccc2cn[nH]c2c1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCNCC1

HCID178521765

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)N1CCN(c2cc3[nH]c(Nc4ccccc4C(F)(F)F)nc3cc2C(=O)Nc2ccc3cn[nH]c3c2)CC1

HCID178486173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c24c8d380274f4695c0ae178f942481
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

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([S:51](=[O:52])(=[O:53])[Cl:54])[CH3:55].[ClH:1].[ClH:2].[ClH:3].[NH2:57][NH2:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:56].[OH2:64].[nH:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[cH:17][c:18]4[c:19]([nH:20][c:21]([NH:23][c:24]5[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]5)[n:22]4)[cH:34][c:35]3[N:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[cH:11][c:12]12>>[nH:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[cH:17][c:18]4[c:19]([nH:20][c:21]([NH:23][c:24]5[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]5)[n:22]4)[cH:34][c:35]3[N:36]3[CH2:37][CH2:38][N:39]([S:51]([N:50]([CH3:49])[CH3:55])(=[O:52])=[O:53])[CH2:40][CH2:41]3)[cH:11][c:12]12