Hydrochloric Acid → HCID 68670557, compound

HRID 170819Notes

Reaction equation

HRID 170819 reaction equation
[CH3:47][N:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[Cl:59][CH2:60][Cl:61].[ClH:13].[ClH:14].[N:15]1([c:22]2[cH:23][c:24](-[c:28]3[n:29][c:30]4[c:31]([n:32]3[CH3:33])[cH:34][cH:35][cH:36][cH:37]4)[cH:25][cH:26][cH:27]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21]1.[Na+:58].[O-:54][C:55]([OH:56])=[O:57]>>[C:5](=[O:11])([N:18]1[CH2:17][CH2:16][N:15]([c:22]2[cH:23][c:24](-[c:28]3[n:29][c:30]4[c:31]([n:32]3[CH3:33])[cH:34][cH:35][cH:36][cH:37]4)[cH:25][cH:26][cH:27]2)[CH2:21][CH2:20][CH2:19]1)[N:51]1[CH2:50][CH2:49][N:48]([CH3:47])[CH2:53][CH2:52]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 94429TriphosgeneHCID 68670157HCID 68670157, compound

Product 1

HCID 68670557HCID 68670557, compound

Sources & evidence

ORD record
ord-ead2e95811ad4df796316f02c9043024
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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