Bicarbonate Ion → N-{5-tert-butyl-2-methoxy-3-[3-(4-pyrrolo[3,2-c]pyridin-1-yl-naphthalen-1-yl)-ureido]-phenyl}-methanesulfonamide

HRID 1549696Notes

Reaction equation

HRID 1549696 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[Cl:24][C:25](=[O:26])[Cl:27].[Cl:51][CH2:52][Cl:53].[N-:28]=[C:29]=[O:30].[NH2:1][c:2]1[c:3]([O:17][CH3:18])[c:4]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1.[NH2:31][c:32]1[cH:33][cH:34][c:35](-[n:42]2[cH:43][cH:44][c:45]3[cH:46][n:47][cH:48][cH:49][c:50]23)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12.[Na+:23].[O-:19][C:20](=[O:21])[OH:22]>>[NH:1]([c:2]1[c:3]([O:17][CH3:18])[c:4]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1)[C:20](=[O:22])[NH:31][c:32]1[cH:33][cH:34][c:35](-[n:42]2[cH:43][cH:44][c:45]3[cH:46][n:47][cH:48][cH:49][c:50]23)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 105034IsocyanateHCID 10214710N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methanesulfonamideHCID 114823371-(4-Aminonaphthalen-1-yl)pyrrolo[3,2-c]pyridine

Product 1

HCID 10187755N-{5-tert-butyl-2-methoxy-3-[3-(4-pyrrolo[3,2-c]pyridin-1-yl-naphthalen-1-yl)-ureido]-phenyl}-methanesulfonamide

Sources & evidence

ORD record
ord-ef28e8e2401143f7a61cca63aad79036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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