HRID214142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID738038

3-chloro-4-methoxybenzenemethanamine

C8H10ClNO

结构：COC(=O)c1c(N2CCC(O)CC2)nc(N2CCn3ccnc3C2)nc1S(=O)Cc1ccccc1

HCID17848335

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(N2CCn3ccnc3C2)nc1N1CCC(O)CC1

HCID17848312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bc882af331e4ebabf2503c182ab1b9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([S:2](=[O:3])[c:10]1[n:11][c:12]([N:27]2[CH2:28][c:29]3[n:30]([cH:33][cH:34][n:35]3)[CH2:31][CH2:32]2)[n:13][c:14]([N:20]2[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]2)[c:15]1[C:16](=[O:17])[O:18][CH3:19])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[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:36][c:37]1[cH:38][c:39]([CH2:40][NH2:41])[cH:42][cH:43][c:44]1[O:45][CH3:46].[OH2:60]>>[c:10]1([NH:41][CH2:40][c:39]2[cH:38][c:37]([Cl:36])[c:44]([O:45][CH3:46])[cH:43][cH:42]2)[n:11][c:12]([N:27]2[CH2:28][c:29]3[n:30]([cH:33][cH:34][n:35]3)[CH2:31][CH2:32]2)[n:13][c:14]([N:20]2[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]2)[c:15]1[C:16](=[O:17])[O:18][CH3:19]