Water → Hydrochloric Acid

HRID 1200876Notes

Reaction equation

HRID 1200876 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[Cl:9].[CH2:13]([CH3:14])[N:15]1[c:16]2[c:17]([cH:27][c:28]([O:31][CH2:32][CH2:33][CH2:34][NH:35][CH2:36][CH2:37][c:38]3[cH:39][n:40][cH:41][cH:42][cH:43]3)[cH:29][cH:30]2)[N:18]([CH3:26])[C:19](=[O:25])[C:20]([CH3:23])([CH3:24])[C:21]1=[O:22].[CH3:10][C:11]#[N:12].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[OH2:57]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:35]([CH2:34][CH2:33][CH2:32][O:31][c:28]1[cH:27][c:17]2[c:16]([cH:30][cH:29]1)[N:15]([CH2:13][CH3:14])[C:21](=[O:22])[C:20]([CH3:23])([CH3:24])[C:19](=[O:25])[N:18]2[CH3:26])[CH2:36][CH2:37][c:38]1[cH:39][n:40][cH:41][cH:42][cH:43]1.[ClH:9]

Participants

8

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 686730021-Ethyl-3,3,5-trimethyl-7-[3-(2-pyridin-3-ylethylamino) propoxy]-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione

Product 2

HCID 313Hydrochloric AcidHCID 44200908N-[3-[(1-ethyl-3,3,5-trimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)oxy]propyl]-N-(2-pyridin-3-ylethyl)benzamide

Sources & evidence

ORD record
ord-d9760cd2ba1b444190c179706867eab6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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