HRID1545843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID182236

1-Propanesulfonyl chloride, 2-methyl-

C4H9ClO2S

结构：NCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCCCO3)c2n1

HCID22948628

未命名化合物

PRODUCTS

生成物

结构：CC(C)CS(=O)(=O)NCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCCCO3)c2n1

HCID18427385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fea73280d5b8472e8ddf3f9558d04a5d
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][CH:41]([CH2:42][S:43](=[O:44])(=[O:45])[Cl:46])[CH3:47].[Cl:48][CH2:49][Cl:50].[NH2:1][CH2:2][c:3]1[n:4][c:5]([NH:18][CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[c:10]2[n:11]1>>[NH:1]([CH2:2][c:3]1[n:4][c:5]([NH:18][CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH2:14][CH2:15][CH2:16][CH2:17]3)[c:10]2[n:11]1)[S:43]([CH2:42][CH:41]([CH3:40])[CH3:47])(=[O:44])=[O:45]