Water → HCID 73741640, compound

HRID 1136952

Reaction equation

HRID 1136952 reaction equation
[CH3:14][CH:15]([C:16](=[O:17])[OH:18])[C:19](=[O:20])[NH:21][CH2:22][C:23]([C:24]([F:25])([F:26])[F:27])([F:28])[F:29].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[NH2:1][CH:2]1[CH2:3][O:4][c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[NH:7][C:8]1=[O:9].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:30].[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[NH:1]([CH:2]1[CH2:3][O:4][c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[NH:7][C:8]1=[O:9])[C:16]([CH:15]([CH3:14])[C:19](=[O:20])[NH:21][CH2:22][C:23]([C:24]([F:25])([F:26])[F:27])([F:28])[F:29])=[O:17]

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 133751543-Amino-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-oneHCID 21072494HCID 21072494, compound

Product 1

HCID 73741640HCID 73741640, compound

Sources & evidence

ORD record
ord-f21bd86d1d134ee9abb2d4551ede62bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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