Ethanol → HCID 66621511, compound

HRID 2324709Notes

Reaction equation

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

Participants

Reactant 2

HCID 702Ethanol

HCID 666205556-[5-(9,9-Difluoro-7-{2-[2-(2-methoxycarbonylamino-3-methyl-butyryl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-benzoimidazol-5-yl}-9H-fluoren-2-yl)-1H-pyrrol-2-yl]-5-aza-spiro[2.4]heptane-5-carboxylic acid benzyl ester

Product 1

HCID 66621511HCID 66621511, compound

Sources & evidence

ORD record: ord-5a38b6f45c9f47d3925daed30cc51a95
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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