HRID208640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1116164

benzyl beta-alaninate

C10H13NO2

结构：CC(C)c1ccc(OC2CCC3(CC2)SCC(C(=O)O)N3C(=O)c2ccccc2)cc1

HCID9889406

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(OC2CCC3(CC2)SCC(C(=O)NCCC(=O)OCc2ccccc2)N3C(=O)c2ccccc2)cc1

HCID178439259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71f7bd3ca3fc4ac29af210f1bbada3b5
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([C:29](=[O:30])[OH:31])[CH2:11][S:12][C:13]12[CH2:14][CH2:15][CH:16]([O:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]1)[CH2:17][CH2:18]2.[CH:56]1([N:57]=[C:58]=[N:59][CH:60]2[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]2)[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[NH2:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([C:29](=[O:30])[NH:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:11][S:12][C:13]12[CH2:14][CH2:15][CH:16]([O:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]1)[CH2:17][CH2:18]2