Hydrochloric Acid → HCID 10228549, compound

HRID 308135Notes

Reaction equation

HRID 308135 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:13])[c:8]([O:9][CH3:10])[cH:11][cH:12]1.[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl:14][C:15](=[O:16])[Cl:17].[Cl:53][CH2:54][Cl:55].[ClH:21].[N-:18]=[C:19]=[O:20].[NH2:22][c:23]1[cH:24][cH:25][c:26](-[c:33]2[cH:34][c:35]3[c:36]([n:42][cH:43]2)[O:37][CH2:38][C:39](=[O:41])[NH:40]3)[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[Na+:60].[O-:56][C:57]([OH:58])=[O:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:13][C:19]([NH:18][c:23]2[cH:24][cH:25][c:26](-[c:33]3[cH:34][c:35]4[c:36]([n:42][cH:43]3)[O:37][CH2:38][C:39](=[O:41])[NH:40]4)[c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)=[O:20])[c:8]([O:9][CH3:10])[cH:11][cH:12]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 105034IsocyanateHCID 41763185-tert-Butyl-o-anisidineHCID 22631411HCID 22631411, compound

Product 1

HCID 10228549HCID 10228549, compound

Sources & evidence

ORD record
ord-0127a52638af4136aaf2b841bcd0dd78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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