2-Morpholinoethanol → HCID 66941762, compound

HRID 302526Notes

Reaction equation

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

Participants

Reactant 2

HCID 611632-Morpholinoethanol

HCID 669415561-[1-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

Product 1

HCID 66941762HCID 66941762, compound

Sources & evidence

ORD record: ord-7c4d6f4609be4fdeac887ac98ffea2d9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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