HRID100533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID4086562

N-[4-(4H-1,2,4-Triazol-4-yl)phenyl]acetamide

C10H10N4O

结构：Cc1ccc(S(=O)(=O)OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1

HCID87207669

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(CCC1CC1C1CCN(c2ncc(Cl)cn2)CC1)c1ccc(-n2cnnc2)cc1

HCID178474656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b50e38e15111424a8e10fd9a76e6def0
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

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