Ethanol → HCID 178480163, compound

HRID 312207Notes

Reaction equation

HRID 312207 reaction equation
[CH3:1][N:2]1[CH:3]([CH2:7][CH2:8][N:9]2[c:10]3[c:11]([cH:16][c:17]([NH2:20])[cH:18][cH:19]3)[CH2:12][CH2:13][CH2:14][CH2:15]2)[CH2:4][CH2:5][CH2:6]1.[CH3:21][N:22]([CH2:23][CH2:24][N:25]1[c:26]2[c:27]([cH:28][cH:29][c:30]([NH:44][C:45](=[NH:31])[c:47]3[s:48][cH:49][cH:50][cH:51]3)[cH:32]2)[CH2:33][CH2:34][CH2:35]1)[C:36](=[O:37])[O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:46]1.[CH3:52][CH2:53][OH:54].[Na+:59].[O-:55][C:56]([OH:57])=[O:58]>>[CH3:1][N:2]1[CH:3]([CH2:7][CH2:8][N:9]2[c:10]3[c:11]([cH:16][c:17]([NH:20][C:45](=[NH:44])[c:47]4[s:48][cH:49][cH:50][cH:51]4)[cH:18][cH:19]3)[CH2:12][CH2:13][CH2:14][CH2:15]2)[CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 674928321-(2-(1-Methylpyrrolidin-2-yl)ethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-amineHCID 178484202HCID 178484202, compound

Product 1

HCID 178480163HCID 178480163, compound

Sources & evidence

ORD record
ord-4c3c22be63e644baa3ddc21444386b20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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