HRID1226989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(CC(=O)N1CCC(N2Cc3cc(O)ccc3NC2=O)CC1)Cc1cc(Cl)c(N)c(C(F)(F)F)c1

HCID69071696

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4cc(O)ccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID68676157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8bce35edcb64aed940e33d510989a32
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[ClH:42].[Li+:2].[NH2:3][c:4]1[c:5]([Cl:41])[cH:6][c:7]([CH2:8][CH:9]([C:10](=[O:11])[O:12][CH3:13])[CH2:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[C:24](=[O:34])[NH:25][c:26]4[cH:27][cH:28][c:29]([OH:33])[cH:30][c:31]4[CH2:32]3)[CH2:21][CH2:22]2)[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40].[OH-:1].[OH2:43]>>[NH2:3][c:4]1[c:5]([Cl:41])[cH:6][c:7]([CH2:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[C:24](=[O:34])[NH:25][c:26]4[cH:27][cH:28][c:29]([OH:33])[cH:30][c:31]4[CH2:32]3)[CH2:21][CH2:22]2)[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40]