HRID1127084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2792792

6-Chloropyridine-3-sulfonyl chloride

C5H3Cl2NO2S

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430378

未命名化合物

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(C)c1

HCID178482158

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N(C)S(=O)(=O)c2ccc(Cl)nc2)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID178428688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1445dbc3f3e4fad97c669c7d76c1854
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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