HRID1152513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCSC)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C2

HCID178496824

未命名化合物

PRODUCTS

生成物

结构：CSCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)C1C2(N)CC3CC(C2)CC1(C(=O)O)C3

HCID178503755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b86ec549164c4759b6d93ec591b56857
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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