HRID109195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID79341

Piperidin-4-ol

C5H11NO

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(S(=O)Cc2ccccc2)nc1N1CCn2ccnc2C1

HCID17848302

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(N2CCC(O)CC2)nc1N1CCn2ccnc2C1

HCID17848300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-432c4e94197f4f8a861f83a50f3a8486
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

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