HRID179813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID98388

2-(2-Aminoethyl)-1-methylpyrrolidine

C7H16N2

结构：COC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(I)cc1)CC2

HCID69309903

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)NCCC2CCCN2C)c1

HCID69313751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3601c65b6c2b4aa18b9ac5bc33da33cf
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

[CH3:1][O:2][C:3]([c:4]1[c:5](-[n:12]2[n:13][c:14]([C:29]([F:30])([F:31])[F:32])[c:15]3[c:16]2[C:17](=[O:28])[N:18]([c:21]2[cH:22][cH:23][c:24]([I:27])[cH:25][cH:26]2)[CH2:19][CH2:20]3)[cH:6][cH:7][c:8]([O:10][CH3:11])[cH:9]1)=[O:33].[CH3:34][N:35]1[CH:36]([CH2:40][CH2:41][NH2:42])[CH2:37][CH2:38][CH2:39]1.[OH2:43].[OH:44][CH2:45][CH2:46][OH:47]>>[O:2]=[C:3]([c:4]1[c:5](-[n:12]2[n:13][c:14]([C:29]([F:30])([F:31])[F:32])[c:15]3[c:16]2[C:17](=[O:28])[N:18]([c:21]2[cH:22][cH:23][c:24]([I:27])[cH:25][cH:26]2)[CH2:19][CH2:20]3)[cH:6][cH:7][c:8]([O:10][CH3:11])[cH:9]1)[NH:42][CH2:41][CH2:40][CH:36]1[N:35]([CH3:34])[CH2:39][CH2:38][CH2:37]1