Hydrochloric Acid → HCID 72278101, compound

HRID 2348268Notes

Reaction equation

HRID 2348268 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([n:14]2[cH:15][c:16]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[c:17](=[O:45])[c:18]3[cH:19][c:20](-[c:24]4[cH:25][n:26][c:27]([NH:39][C:40](=[O:41])[NH:42][CH2:43][CH3:44])[cH:28][c:29]4-[c:30]4[s:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[n:34]4)[cH:21][cH:22][c:23]23)[CH2:11][CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:66][OH:67].[Cl:63][CH2:64][Cl:65].[ClH:51].[Na+:62].[O-:58][C:59]([OH:60])=[O:61].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:68]>>[NH:8]1[CH2:9][CH:10]([n:14]2[cH:15][c:16]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[c:17](=[O:45])[c:18]3[cH:19][c:20](-[c:24]4[cH:25][n:26][c:27]([NH:39][C:40](=[O:41])[NH:42][CH2:43][CH3:44])[cH:28][c:29]4-[c:30]4[s:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[n:34]4)[cH:21][cH:22][c:23]23)[CH2:11][CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 72278118HCID 72278118, compound

Product 1

HCID 72278101HCID 72278101, compound

Sources & evidence

ORD record
ord-c29d1db85ce54f0197e682d6a645ae2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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