HRID1214043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID235097

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

C13H18O5S

结构：NC1CCC(Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1

HCID50908323

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(CNC2CCC(Nc3cc(-c4nc(NCC5CCOCC5)ccc4Cl)c(Cl)cn3)CC2)O1

HCID75579199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6245d907cf040128a19721f0deb15bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:40][c:41]1[cH:42][cH:43][c:44]([S:45]([O:46][CH2:51][CH:52]2[O:53][C:54]([CH3:57])([CH3:58])[O:55][CH2:56]2)(=[O:47])=[O:48])[cH:49][cH:50]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Cl:30])[c:13](-[c:15]3[n:16][c:17]([NH:22][CH2:23][CH:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:18][cH:19][c:20]3[Cl:21])[cH:14]2)[CH2:6][CH2:7]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Cl:30])[c:13](-[c:15]3[n:16][c:17]([NH:22][CH2:23][CH:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:18][cH:19][c:20]3[Cl:21])[cH:14]2)[CH2:6][CH2:7]1)[CH2:51][CH:52]1[O:53][C:54]([CH3:57])([CH3:58])[O:55][CH2:56]1