Hydrochloric Acid → HCID 18706969, compound

HRID 210592Notes

Reaction equation

HRID 210592 reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH2:1]([CH3:2])[c:3]1[c:4](-[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[c:5]2[n:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[c:12](-[c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:18][cH:19]1)[cH:13]2.[CH3:50][OH:51].[Cl:52][CH2:53][Cl:54].[ClH:37].[Na+:49].[OH2:44].[nH+:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:29]2[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]2)[c:5]2[n:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[c:12](-[c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:18][cH:19]1)[cH:13]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 4989215PyridiniumHCID 18706979HCID 18706979, compound

Product 1

HCID 18706969HCID 18706969, compound

Sources & evidence

ORD record
ord-df43f8947a6848d6a5183da2ffc61386
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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